SCHEMBL769942

SCHEMBL769942

COC(=O)C(CO)(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
TSHR P16473 3/20 0.36
HCAR2 Q8TDS4 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KCNN4 O15554 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TET2 Q6N021 1/20 0.32
SRC P12931 1/20 0.31
RECQL P46063 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
TP53 P04637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL18261961 0.92 ALDH1A1 (0.36) DGAT1TSHRHCAR2KEAP1NFE2L2
SCHEMBL2204111 0.87 CYP4F2 (0.39) DGAT1TSHRHCAR2KEAP1NFE2L2
SCHEMBL5000217 0.87 CYP4F2 (0.39) DGAT1TSHRHCAR2KEAP1NFE2L2
SCHEMBL21033777 0.86 KDM4E (0.33) DGAT1KDM4EPKMALDH1A1CYP4F2
SCHEMBL16453917 0.83 KDM4E (0.34) DGAT1KDM4EPKMALDH1A1HSD17B10
SCHEMBL354285 0.81 CYP2C19 (0.37) DGAT1ALDH1A1TP53CYP3A4MAPK1
SCHEMBL28860642 0.79 EPHX1 (0.39) KDM4EPKMCYP4F2CYP4A11
SCHEMBL18597562 0.79 CYP4F2 (0.39) DGAT1KDM4EPKMALDH1A1HSD17B10
SCHEMBL15367676 0.78 FDPS (0.33) KDM4EPKMHSD17B10CYP4F2CYP4A11
SCHEMBL2477744 0.77 CYP4F2 (0.39) DGAT1TSHRHCAR2KEAP1NFE2L2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787413-B2 Derivatives of curcuminoids and use thereof as an anticancer agent CHINA MEDICAL UNIVERSITY (TW) 2020-09-29 US disclosed
US-20190161430-A1 NOVEL DERIVATIVES OF CURCUMINOIDS AND USE THEREOF AS AN ANTICANCER AGENT CHINA MEDICAL UNIVERSITY (TW) 2019-05-30 US disclosed
US-8551963-B2 Imidazolothiazole compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-10-08 US disclosed
US-8551963-B2 Imidazolothiazole compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-10-08 US disclosed
US-8551963-B2 Imidazolothiazole compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-10-08 US disclosed
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 US disclosed
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 US disclosed
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2012-03-22 US disclosed
EP-2358725-A1 Imidazolothiazole compounds as modulators of protein kinase Ambit Biosciences Corporation (US) 2011-08-24 EP disclosed
WO-2010054058-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AS MODULATORS OF PROTEIN KINASE AMBIT BIOSCIENCE CORPORATION (US) 2010-05-14 WO disclosed
WO-2010054058-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AS MODULATORS OF PROTEIN KINASE AMBIT BIOSCIENCE CORPORATION (US) 2010-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190161430-A1 NOVEL DERIVATIVES OF CURCUMINOIDS AND USE THEREOF AS AN ANTICANCER AGENT HPGDS, MYC, HCCS DGAT1 2390/4885TSHR 4822/4885HCAR2 259/4885
US-20120070410-A1 IMIDAZOLOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF GRK2, GRK3, GRK4 DGAT1 2600/4885TSHR 620/4885HCAR2 482/4885
US-10787413-B2 Derivatives of curcuminoids and use thereof as an anticancer agent HPGDS, DHFR, MYC DGAT1 2339/4885TSHR 4815/4885HCAR2 140/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.